4-chloro-N-[(2,6-dimethylphenyl)methyl]-2,2-dimethylbutan-1-amine

C15H24ClN — CID 106139903

IUPAC4-chloro-N-[(2,6-dimethylphenyl)methyl]-2,2-dimethylbutan-1-amine
SMILESCc1cccc(C)c1CNCC(C)(C)CCCl
InChIInChI=1S/C15H24ClN/c1-12-6-5-7-13(2)14(12)10-17-11-15(3,4)8-9-16/h5-7,17H,8-11H2,1-4H3
InChIKeyCZCFCHLMYGJZOY-UHFFFAOYSA-N
MW253.82 g/mol
LogP4.05
Rot. Bonds6

About 4-chloro-N-[(2,6-dimethylphenyl)methyl]-2,2-dimethylbutan-1-amine

4-chloro-N-[(2,6-dimethylphenyl)methyl]-2,2-dimethylbutan-1-amine (PubChem CID 106139903) has the molecular formula C15H24ClN and a molecular weight of 253.82 g/mol. Its IUPAC name is 4-chloro-N-[(2,6-dimethylphenyl)methyl]-2,2-dimethylbutan-1-amine.

Molecular Properties

Compound Name4-chloro-N-[(2,6-dimethylphenyl)methyl]-2,2-dimethylbutan-1-amine
PubChem CID106139903
Molecular FormulaC15H24ClN
Molecular Weight253.82 g/mol
Exact Mass253.16
IUPAC Name4-chloro-N-[(2,6-dimethylphenyl)methyl]-2,2-dimethylbutan-1-amine
SMILESCc1cccc(C)c1CNCC(C)(C)CCCl
InChIInChI=1S/C15H24ClN/c1-12-6-5-7-13(2)14(12)10-17-11-15(3,4)8-9-16/h5-7,17H,8-11H2,1-4H3
InChIKeyCZCFCHLMYGJZOY-UHFFFAOYSA-N
XLogP4.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.82
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 4-chloro-N-[(2,6-dimethylphenyl)methyl]-2,2-dimethylbutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2,6-dimethylphenyl)methyl]-4-methoxy-2,2-dimethylbutan-1-amine
CID 104625041
4-chloro-2,2-dimethyl-N-[(3-methylphenyl)methyl]butan-1-amine
CID 106140086
5-chloro-N-[(2,6-dichlorophenyl)methyl]-2,2-dimethylpentan-1-amine
CID 106140684
4-chloro-2,2-dimethyl-N-(pyrimidin-2-ylmethyl)butan-1-amine
CID 106140431
4-chloro-2,2-dimethyl-N-(pyridin-4-ylmethyl)butan-1-amine
CID 106140076
N-(4-chloro-2,2-dimethylbutyl)-2-fluoro-3-methylbenzamide
CID 114149338
4-chloro-N-[(2-methoxy-3-pyridinyl)methyl]-2,2-dimethylbutan-1-amine
CID 106140011
4-chloro-N-[(4-chloro-3-fluorophenyl)methyl]-2,2-dimethylbutan-1-amine
CID 106140482
N-[(3-bromo-4-fluorophenyl)methyl]-4-chloro-2,2-dimethylbutan-1-amine
CID 106140108
N-(5-chloro-2,2-dimethylpentyl)-2,6-dimethylbenzamide
CID 114149603
4-chloro-2,2-dimethyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]butan-1-amine
CID 114148926
4-chloro-2,2-dimethyl-N-(3-phenoxypropyl)butan-1-amine
CID 114148906

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(2,6-dimethylphenyl)methyl]-2,2-dimethylbutan-1-amine?
The IUPAC name of 4-chloro-N-[(2,6-dimethylphenyl)methyl]-2,2-dimethylbutan-1-amine (CID 106139903) is 4-chloro-N-[(2,6-dimethylphenyl)methyl]-2,2-dimethylbutan-1-amine.
What is the SMILES notation for 4-chloro-N-[(2,6-dimethylphenyl)methyl]-2,2-dimethylbutan-1-amine?
The canonical SMILES for 4-chloro-N-[(2,6-dimethylphenyl)methyl]-2,2-dimethylbutan-1-amine is Cc1cccc(C)c1CNCC(C)(C)CCCl.
What is the InChIKey of 4-chloro-N-[(2,6-dimethylphenyl)methyl]-2,2-dimethylbutan-1-amine?
The InChIKey is CZCFCHLMYGJZOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN/c1-12-6-5-7-13(2)14(12)10-17-11-15(3,4)8-9-16/h5-7,17H,8-11H2,1-4H3.
What are the key properties of 4-chloro-N-[(2,6-dimethylphenyl)methyl]-2,2-dimethylbutan-1-amine?
4-chloro-N-[(2,6-dimethylphenyl)methyl]-2,2-dimethylbutan-1-amine has a molecular weight of 253.82 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(2,6-dimethylphenyl)methyl]-2,2-dimethylbutan-1-amine is sourced from PubChem (CID 106139903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).